N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide

C23H28N2O4S — CID 139945956

About N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide

N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide (PubChem CID 139945956) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide
• PubChem CID: 139945956
• Molecular Formula: C23H28N2O4S
• Molecular Weight: 428.55 g/mol
• Exact Mass: 428.18
• IUPAC Name: N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide
• SMILES: COc1cc2c(c3c1OC(C)(C)C3)CC(C)(C)N=C2c1cccc(NS(C)(=O)=O)c1
• InChI: InChI=1S/C23H28N2O4S/c1-22(2)12-17-16(11-19(28-5)21-18(17)13-23(3,4)29-21)20(24-22)14-8-7-9-15(10-14)25-30(6,26)27/h7-11,25H,12-13H2,1-6H3
• InChIKey: RPJREIIWRYCIKF-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 76.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide?

The IUPAC name of N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide (CID 139945956) is N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide?

The canonical SMILES for N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide is COc1cc2c(c3c1OC(C)(C)C3)CC(C)(C)N=C2c1cccc(NS(C)(=O)=O)c1.

What is the InChIKey of N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide?

The InChIKey is RPJREIIWRYCIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-22(2)12-17-16(11-19(28-5)21-18(17)13-23(3,4)29-21)20(24-22)14-8-7-9-15(10-14)25-30(6,26)27/h7-11,25H,12-13H2,1-6H3.

What are the key properties of N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide?

N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 139945956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).